COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.460   2.078   1.207  1.00  0.00           C  
HETATM    2  C   UNL     1       3.158   1.675  -0.022  1.00  0.00           C  
HETATM    3  C   UNL     1       2.539   0.436  -0.297  1.00  0.00           C  
HETATM    4  C   UNL     1       2.346   2.766   0.281  1.00  0.00           C  
HETATM    5  C   UNL     1       0.974   2.589   0.305  1.00  0.00           C  
HETATM    6  C   UNL     1       1.148   0.347  -0.252  1.00  0.00           C  
HETATM    7  C   UNL     1       3.621  -0.507  -0.580  1.00  0.00           C  
HETATM    8  C   UNL     1       5.531   2.505   0.069  1.00  0.00           C  
HETATM    9  C   UNL     1       7.332   3.831  -1.045  1.00  0.00           C  
HETATM   10  C   UNL     1       6.344   2.675  -1.216  1.00  0.00           C  
HETATM   11  N   UNL     1       4.505   1.479  -0.134  1.00  0.00           N  
HETATM   12  N   UNL     1       0.426   1.406   0.048  1.00  0.00           N  
HETATM   13  N   UNL     1       4.750   0.144  -0.475  1.00  0.00           N  
HETATM   14  N   UNL     1       3.476  -1.857  -0.905  1.00  0.00           N  
HETATM   15  C   UNL     1       3.342  -2.681   0.310  1.00  0.00           C  
HETATM   16  C   UNL     1       4.264  -3.713  -0.356  1.00  0.00           C  
HETATM   17  C   UNL     1       4.788  -2.493  -1.125  1.00  0.00           C  
HETATM   18  C   UNL     1       5.286  -4.343   0.592  1.00  0.00           C  
HETATM   19  C   UNL     1       4.555  -5.062   1.728  1.00  0.00           C  
HETATM   20  C   UNL     1       6.143  -5.349  -0.179  1.00  0.00           C  
HETATM   21  O   UNL     1       6.124  -3.322   1.136  1.00  0.00           O  
HETATM   22  N   UNL     1       0.151   3.672   0.606  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.227   3.539   0.527  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.058   4.645   0.720  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.426   4.466   0.632  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.906   3.260   0.370  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.094   2.227   0.191  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.776   2.358   0.262  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.673   0.894  -0.100  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.953  -0.300  -0.308  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.813  -1.256  -0.536  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.104  -0.717  -0.482  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.002   0.597  -0.210  1.00  0.00           C  
HETATM   34  S   UNL     1      -6.515  -1.554  -0.709  1.00  0.00           S  
HETATM   35  O   UNL     1      -7.434  -0.573  -1.170  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.143  -2.652  -1.530  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.973  -2.126   0.950  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.215  -1.504   1.594  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.258  -2.946   1.085  1.00  0.00           C  
HETATM   40  H   UNL     1       6.937   1.132   0.951  1.00  0.00           H  
HETATM   41  H   UNL     1       7.223   2.841   1.359  1.00  0.00           H  
HETATM   42  H   UNL     1       5.881   1.957   2.123  1.00  0.00           H  
HETATM   43  H   UNL     1       2.780   3.732   0.492  1.00  0.00           H  
HETATM   44  H   UNL     1       0.662  -0.594  -0.461  1.00  0.00           H  
HETATM   45  H   UNL     1       5.053   3.451   0.325  1.00  0.00           H  
HETATM   46  H   UNL     1       7.911   3.952  -1.961  1.00  0.00           H  
HETATM   47  H   UNL     1       6.784   4.750  -0.838  1.00  0.00           H  
HETATM   48  H   UNL     1       8.005   3.614  -0.216  1.00  0.00           H  
HETATM   49  H   UNL     1       6.891   1.756  -1.424  1.00  0.00           H  
HETATM   50  H   UNL     1       5.670   2.892  -2.046  1.00  0.00           H  
HETATM   51  H   UNL     1       3.776  -2.220   1.198  1.00  0.00           H  
HETATM   52  H   UNL     1       2.329  -3.048   0.478  1.00  0.00           H  
HETATM   53  H   UNL     1       3.742  -4.444  -0.974  1.00  0.00           H  
HETATM   54  H   UNL     1       5.001  -2.699  -2.174  1.00  0.00           H  
HETATM   55  H   UNL     1       5.608  -1.981  -0.621  1.00  0.00           H  
HETATM   56  H   UNL     1       3.915  -5.841   1.312  1.00  0.00           H  
HETATM   57  H   UNL     1       5.283  -5.511   2.403  1.00  0.00           H  
HETATM   58  H   UNL     1       3.944  -4.345   2.277  1.00  0.00           H  
HETATM   59  H   UNL     1       6.665  -4.838  -0.988  1.00  0.00           H  
HETATM   60  H   UNL     1       6.872  -5.798   0.496  1.00  0.00           H  
HETATM   61  H   UNL     1       5.504  -6.128  -0.594  1.00  0.00           H  
HETATM   62  H   UNL     1       6.620  -2.824   0.472  1.00  0.00           H  
HETATM   63  H   UNL     1       0.542   4.519   0.870  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.641   5.618   0.933  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.096   5.301   0.776  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.878  -0.406  -0.284  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.821   1.291  -0.101  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.141  -2.382   1.606  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.199  -1.351   2.673  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.755  -0.751   1.020  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.827  -3.142   0.176  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.271  -3.742   1.829  1.00  0.00           H  
CONECT    1    8   40   41   42                                       
CONECT    2    4   11    3    3                                       
CONECT    3    2    2    6    7                                       
CONECT    4    5    5    2   43                                       
CONECT    5   22    4    4   12                                       
CONECT    6   12   12    3   44                                       
CONECT    7    3   13   13   14                                       
CONECT    8    1   10   11   45                                       
CONECT    9   10   46   47   48                                       
CONECT   10    9    8   49   50                                       
CONECT   11    8    2   13                                            
CONECT   12    5    6    6                                            
CONECT   13   11    7    7                                            
CONECT   14    7   17   15                                            
CONECT   15   14   16   51   52                                       
CONECT   16   17   15   18   53                                       
CONECT   17   14   16   54   55                                       
CONECT   18   16   21   20   19                                       
CONECT   19   18   56   57   58                                       
CONECT   20   18   59   60   61                                       
CONECT   21   18   62                                                 
CONECT   22   23    5   63                                            
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   64                                       
CONECT   25   26   26   24   65                                       
CONECT   26   25   25   27                                            
CONECT   27   26   29   28   28                                       
CONECT   28   27   27   23                                            
CONECT   29   30   27   33   33                                       
CONECT   30   31   31   29   66                                       
CONECT   31   30   30   32                                            
CONECT   32   31   34   33                                            
CONECT   33   29   29   32   67                                       
CONECT   34   36   36   32   37                                       
CONECT   34   35   35                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   38   39   68                                       
CONECT   38   37   39   69   70                                       
CONECT   39   38   37   71   72                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
